4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine

C13H17N3OS2 — CID 82423655

IUPAC4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2cnc(C3CCCO3)s2)cs1
InChIInChI=1S/C13H17N3OS2/c1-2-5-14-13-16-9(8-18-13)11-7-15-12(19-11)10-4-3-6-17-10/h7-8,10H,2-6H2,1H3,(H,14,16)
InChIKeyQIJQIRSKQHPCIU-UHFFFAOYSA-N
MW295.43 g/mol
LogP3.94
Rot. Bonds5

About 4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine

4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine (PubChem CID 82423655) has the molecular formula C13H17N3OS2 and a molecular weight of 295.43 g/mol. Its IUPAC name is 4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
PubChem CID82423655
Molecular FormulaC13H17N3OS2
Molecular Weight295.43 g/mol
Exact Mass295.08
IUPAC Name4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine
SMILESCCCNc1nc(-c2cnc(C3CCCO3)s2)cs1
InChIInChI=1S/C13H17N3OS2/c1-2-5-14-13-16-9(8-18-13)11-7-15-12(19-11)10-4-3-6-17-10/h7-8,10H,2-6H2,1H3,(H,14,16)
InChIKeyQIJQIRSKQHPCIU-UHFFFAOYSA-N
XLogP3.94
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.43
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine?
The IUPAC name of 4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine (CID 82423655) is 4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine is CCCNc1nc(-c2cnc(C3CCCO3)s2)cs1.
What is the InChIKey of 4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine?
The InChIKey is QIJQIRSKQHPCIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3OS2/c1-2-5-14-13-16-9(8-18-13)11-7-15-12(19-11)10-4-3-6-17-10/h7-8,10H,2-6H2,1H3,(H,14,16).
What are the key properties of 4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine?
4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine has a molecular weight of 295.43 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(oxolan-2-yl)-1,3-thiazol-5-yl]-N-propyl-1,3-thiazol-2-amine is sourced from PubChem (CID 82423655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).